6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

C24H33N7O5 — CID 69397595

IUPAC6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3cnc(OC)nc3OC)nc21
InChIInChI=1S/C24H33N7O5/c1-4-12-35-15-11-31-21-19(27-20(23(31)32)25-7-8-30-9-13-36-14-10-30)6-5-18(28-21)17-16-26-24(34-3)29-22(17)33-2/h5-6,16H,4,7-15H2,1-3H3,(H,25,27)
InChIKeyFMSCFWNGSWMSCT-UHFFFAOYSA-N
MW499.57 g/mol
LogP1.44
Rot. Bonds12

About 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one

6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 69397595) has the molecular formula C24H33N7O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID69397595
Molecular FormulaC24H33N7O5
Molecular Weight499.57 g/mol
Exact Mass499.25
IUPAC Name6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3cnc(OC)nc3OC)nc21
InChIInChI=1S/C24H33N7O5/c1-4-12-35-15-11-31-21-19(27-20(23(31)32)25-7-8-30-9-13-36-14-10-30)6-5-18(28-21)17-16-26-24(34-3)29-22(17)33-2/h5-6,16H,4,7-15H2,1-3H3,(H,25,27)
InChIKeyFMSCFWNGSWMSCT-UHFFFAOYSA-N
XLogP1.44
TPSA125.75 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
CID 45269493
7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 143336573
3-(2,4-dimethoxypyrimidin-5-yl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
CID 126471335
4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
CID 24883368
3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
CID 134108728
7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one
CID 70320747
2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455713
6-methoxy-4-N-(3-morpholin-4-ylpropyl)-2-propylpyrimidine-4,5-diamine
CID 82455993
6-methoxy-5-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66324992
N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155513615
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid
CID 10246128

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one (CID 69397595) is 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is CCCOCCn1c(=O)c(NCCN2CCOCC2)nc2ccc(-c3cnc(OC)nc3OC)nc21.
What is the InChIKey of 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is FMSCFWNGSWMSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O5/c1-4-12-35-15-11-31-21-19(27-20(23(31)32)25-7-8-30-9-13-36-14-10-30)6-5-18(28-21)17-16-26-24(34-3)29-22(17)33-2/h5-6,16H,4,7-15H2,1-3H3,(H,25,27).
What are the key properties of 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one?
6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 499.57 g/mol, XLogP of 1.44, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxypyrimidin-5-yl)-2-(2-morpholin-4-ylethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 69397595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).